3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one

C12H15F3N2O3 — CID 116780288

IUPAC3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
SMILESCCOC1(c2noc(CC(=O)C(F)(F)F)n2)CCCC1
InChIInChI=1S/C12H15F3N2O3/c1-2-19-11(5-3-4-6-11)10-16-9(20-17-10)7-8(18)12(13,14)15/h2-7H2,1H3
InChIKeyTURCKMNBKHLJLG-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.55
Rot. Bonds5

About 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one

3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one (PubChem CID 116780288) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
PubChem CID116780288
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
SMILESCCOC1(c2noc(CC(=O)C(F)(F)F)n2)CCCC1
InChIInChI=1S/C12H15F3N2O3/c1-2-19-11(5-3-4-6-11)10-16-9(20-17-10)7-8(18)12(13,14)15/h2-7H2,1H3
InChIKeyTURCKMNBKHLJLG-UHFFFAOYSA-N
XLogP2.55
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-3-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 116780394
1,1,1-trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 80681115
2-[[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436752
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781658
2-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 116744107
3-(1-ethoxycyclopentyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116741386
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781245
4-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-3-hydroxybutanenitrile
CID 106527668
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
3-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one
CID 116780226
3-(1-ethoxycyclopentyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 116741349

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one (CID 116780288) is 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one is CCOC1(c2noc(CC(=O)C(F)(F)F)n2)CCCC1.
What is the InChIKey of 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one?
The InChIKey is TURCKMNBKHLJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-2-19-11(5-3-4-6-11)10-16-9(20-17-10)7-8(18)12(13,14)15/h2-7H2,1H3.
What are the key properties of 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one?
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one has a molecular weight of 292.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 116780288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).